Class and Description |
---|
IAminoAcid
A AminoAcid is Monomer which stores additional amino acid specific
informations, like the N-terminus atom.
|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IAtomType
The base class for atom types.
|
IAtomType.Hybridization
An enum for the different hybridization states.
|
IBioPolymer
A BioPolymer is a subclass of a Polymer which is supposed to store
additional informations about the Polymer which are connected to BioPolymers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IBond.Display
Bond display style, controlling how bonds appear in a 2D depiction.
|
IBond.Order
A list of permissible bond orders.
|
IBond.Stereo
Enumeration of possible stereo types of two-atom bonds.
|
ICDKObject
The base class for all data objects in this CDK.
|
IChemFile
An
IChemObject containing a number of ChemSequences. |
IChemModel
An object containing multiple MoleculeSet and
the other lower level concepts like rings, sequences,
fragments, etc.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IChemObjectChangeEvent
Event fired by CDK IChemObject classes to their registered listeners
in case something changed within them.
|
IChemObjectListener
Classes implementing this interface must implement this method
such that they react appropriately to changes in the object they
are interested in.
|
IChemSequence
A sequence of ChemModels, which can, for example, be used to
store the course of a reaction.
|
ICrystal
Class representing a molecular crystal.
|
IElectronContainer
Base class for entities containing electrons, like bonds, orbitals, lone-pairs.
|
IElement
Implements the idea of an element in the periodic table.
|
IFragmentAtom
Class to represent an IPseudoAtom which embeds an IAtomContainer.
|
IIsotope
Used to store and retrieve data of a particular isotope.
|
ILonePair
A LonePair is an orbital primarily located with one Atom, containing
two electrons.
|
IMapping
Represents a mapping of two atoms.
|
IMonomer
A Monomer is an AtomContainer which stores additional monomer specific
informations for a group of Atoms.
|
IPolymer
Subclass of Molecule to store Polymer specific attributes that a Polymer has.
|
IPseudoAtom
Represents the idea of a non-chemical atom-like entity, like Me,
R, X, Phe, His, etc.
|
IReaction
Represents the idea of a chemical reaction.
|
IReaction.Direction
Permissible reaction directions.
|
IReactionScheme
Classes that implement this interface of a scheme.
|
IReactionSet
A set of reactions, for example those taking part in a reaction.
|
IRing
Class representing a ring structure in a molecule.
|
IRingSet
Maintains a set of Ring objects.
|
ISingleElectron
A Single Electron is an orbital which is occupied by only one electron.
|
IStereoElement
Representation of stereochemical configuration.
|
IStrand
A Strand is an AtomContainer which stores additional strand specific
informations for a group of Atoms.
|
ISubstance
A chemical substance that consists of one or more chemical structures.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IRing
Class representing a ring structure in a molecule.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomType
The base class for atom types.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IRingSet
Maintains a set of Ring objects.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomType
The base class for atom types.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IElement
Implements the idea of an element in the periodic table.
|
IIsotope
Used to store and retrieve data of a particular isotope.
|
IMolecularFormula
Class defining a molecular formula object.
|
Class and Description |
---|
IAtomType
The base class for atom types.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IIsotope
Used to store and retrieve data of a particular isotope.
|
Class and Description |
---|
IAdductFormula
Class defining an adduct object in a MolecularFormula.
|
IAminoAcid
A AminoAcid is Monomer which stores additional amino acid specific
informations, like the N-terminus atom.
|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IAtomType
The base class for atom types.
|
IAtomType.Hybridization
An enum for the different hybridization states.
|
IBioPolymer
A BioPolymer is a subclass of a Polymer which is supposed to store
additional informations about the Polymer which are connected to BioPolymers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IBond.Order
A list of permissible bond orders.
|
IBond.Stereo
Enumeration of possible stereo types of two-atom bonds.
|
ICDKObject
The base class for all data objects in this CDK.
|
IChemFile
An
IChemObject containing a number of ChemSequences. |
IChemModel
An object containing multiple MoleculeSet and
the other lower level concepts like rings, sequences,
fragments, etc.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IChemObjectChangeEvent
Event fired by CDK IChemObject classes to their registered listeners
in case something changed within them.
|
IChemObjectListener
Classes implementing this interface must implement this method
such that they react appropriately to changes in the object they
are interested in.
|
IChemSequence
A sequence of ChemModels, which can, for example, be used to
store the course of a reaction.
|
ICrystal
Class representing a molecular crystal.
|
IElectronContainer
Base class for entities containing electrons, like bonds, orbitals, lone-pairs.
|
IElement
Implements the idea of an element in the periodic table.
|
IFragmentAtom
Class to represent an IPseudoAtom which embeds an IAtomContainer.
|
IIsotope
Used to store and retrieve data of a particular isotope.
|
ILonePair
A LonePair is an orbital primarily located with one Atom, containing
two electrons.
|
IMapping
Represents a mapping of two atoms.
|
IMolecularFormula
Class defining a molecular formula object.
|
IMolecularFormulaSet
Class defining a molecular formula object.
|
IMonomer
A Monomer is an AtomContainer which stores additional monomer specific
informations for a group of Atoms.
|
IPDBAtom
A PDBAtom is a subclass of a Atom which is supposed to store additional informations about the Atom.
|
IPDBMonomer
Represents the idea of an protein monomer as found in PDB files.
|
IPDBPolymer
A PDBPolymer is a subclass of a BioPolymer which is supposed to store
additional informations about the BioPolymer which are connected to BioPolymers.
|
IPDBStructure
Represents the idea of an chemical structure.
|
IPolymer
Subclass of Molecule to store Polymer specific attributes that a Polymer has.
|
IPseudoAtom
Represents the idea of a non-chemical atom-like entity, like Me,
R, X, Phe, His, etc.
|
IReaction
Represents the idea of a chemical reaction.
|
IReaction.Direction
Permissible reaction directions.
|
IReactionScheme
Classes that implement this interface of a scheme.
|
IReactionSet
A set of reactions, for example those taking part in a reaction.
|
IRing
Class representing a ring structure in a molecule.
|
IRingSet
Maintains a set of Ring objects.
|
ISingleElectron
A Single Electron is an orbital which is occupied by only one electron.
|
IStereoElement
Representation of stereochemical configuration.
|
IStrand
A Strand is an AtomContainer which stores additional strand specific
informations for a group of Atoms.
|
ISubstance
A chemical substance that consists of one or more chemical structures.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IReaction
Represents the idea of a chemical reaction.
|
Class and Description |
---|
IChemObject
The base class for all chemical objects in this cdk.
|
Class and Description |
---|
IChemObjectChangeEvent
Event fired by CDK IChemObject classes to their registered listeners
in case something changed within them.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IRingSet
Maintains a set of Ring objects.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAdductFormula
Class defining an adduct object in a MolecularFormula.
|
ICDKObject
The base class for all data objects in this CDK.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IIsotope
Used to store and retrieve data of a particular isotope.
|
IMolecularFormula
Class defining a molecular formula object.
|
IMolecularFormulaSet
Class defining a molecular formula object.
|
Class and Description |
---|
IMolecularFormula
Class defining a molecular formula object.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IChemModel
An object containing multiple MoleculeSet and
the other lower level concepts like rings, sequences,
fragments, etc.
|
ICrystal
Class representing a molecular crystal.
|
IReaction
Represents the idea of a chemical reaction.
|
IRingSet
Maintains a set of Ring objects.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IDoubleBondStereochemistry
Stereochemistry specification for double bond stereochemistry.
|
ITetrahedralChirality
Stereochemistry specification for quadrivalent atoms.
|
ITetrahedralChirality.Stereo
Enumeration that defines the two possible chiralities for this stereochemistry type.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IRingSet
Maintains a set of Ring objects.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IAminoAcid
A AminoAcid is Monomer which stores additional amino acid specific
informations, like the N-terminus atom.
|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IAtomType
The base class for atom types.
|
IAtomType.Hybridization
An enum for the different hybridization states.
|
IBioPolymer
A BioPolymer is a subclass of a Polymer which is supposed to store
additional informations about the Polymer which are connected to BioPolymers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IBond.Display
Bond display style, controlling how bonds appear in a 2D depiction.
|
IBond.Order
A list of permissible bond orders.
|
IBond.Stereo
Enumeration of possible stereo types of two-atom bonds.
|
ICDKObject
The base class for all data objects in this CDK.
|
IChemModel
An object containing multiple MoleculeSet and
the other lower level concepts like rings, sequences,
fragments, etc.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IChemObjectChangeEvent
Event fired by CDK IChemObject classes to their registered listeners
in case something changed within them.
|
IChemObjectListener
Classes implementing this interface must implement this method
such that they react appropriately to changes in the object they
are interested in.
|
IChemSequence
A sequence of ChemModels, which can, for example, be used to
store the course of a reaction.
|
ICrystal
Class representing a molecular crystal.
|
IDoubleBondStereochemistry
Stereochemistry specification for double bond stereochemistry.
|
IDoubleBondStereochemistry.Conformation
Enumeration that defines the two possible values for this stereochemistry type.
|
IElectronContainer
Base class for entities containing electrons, like bonds, orbitals, lone-pairs.
|
IElement
Implements the idea of an element in the periodic table.
|
IIsotope
Used to store and retrieve data of a particular isotope.
|
ILonePair
A LonePair is an orbital primarily located with one Atom, containing
two electrons.
|
IMapping
Represents a mapping of two atoms.
|
IMolecularFormula
Class defining a molecular formula object.
|
IMolecularFormulaSet
Class defining a molecular formula object.
|
IMonomer
A Monomer is an AtomContainer which stores additional monomer specific
informations for a group of Atoms.
|
IPDBAtom
A PDBAtom is a subclass of a Atom which is supposed to store additional informations about the Atom.
|
IPDBMonomer
Represents the idea of an protein monomer as found in PDB files.
|
IPDBPolymer
A PDBPolymer is a subclass of a BioPolymer which is supposed to store
additional informations about the BioPolymer which are connected to BioPolymers.
|
IPDBStructure
Represents the idea of an chemical structure.
|
IPolymer
Subclass of Molecule to store Polymer specific attributes that a Polymer has.
|
IPseudoAtom
Represents the idea of a non-chemical atom-like entity, like Me,
R, X, Phe, His, etc.
|
IReaction
Represents the idea of a chemical reaction.
|
IReaction.Direction
Permissible reaction directions.
|
IReactionScheme
Classes that implement this interface of a scheme.
|
IReactionSet
A set of reactions, for example those taking part in a reaction.
|
IRing
Class representing a ring structure in a molecule.
|
IRingSet
Maintains a set of Ring objects.
|
ISingleElectron
A Single Electron is an orbital which is occupied by only one electron.
|
IStereoElement
Representation of stereochemical configuration.
|
IStrand
A Strand is an AtomContainer which stores additional strand specific
informations for a group of Atoms.
|
ITetrahedralChirality
Stereochemistry specification for quadrivalent atoms.
|
ITetrahedralChirality.Stereo
Enumeration that defines the two possible chiralities for this stereochemistry type.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
ICrystal
Class representing a molecular crystal.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IChemFile
An
IChemObject containing a number of ChemSequences. |
IChemModel
An object containing multiple MoleculeSet and
the other lower level concepts like rings, sequences,
fragments, etc.
|
IChemSequence
A sequence of ChemModels, which can, for example, be used to
store the course of a reaction.
|
IMonomer
A Monomer is an AtomContainer which stores additional monomer specific
informations for a group of Atoms.
|
IReaction
Represents the idea of a chemical reaction.
|
IReactionSet
A set of reactions, for example those taking part in a reaction.
|
IStrand
A Strand is an AtomContainer which stores additional strand specific
informations for a group of Atoms.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IChemModel
An object containing multiple MoleculeSet and
the other lower level concepts like rings, sequences,
fragments, etc.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IChemObject
The base class for all chemical objects in this cdk.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IChemModel
An object containing multiple MoleculeSet and
the other lower level concepts like rings, sequences,
fragments, etc.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IChemObject
The base class for all chemical objects in this cdk.
|
Class and Description |
---|
ISetting
A simple setting that can be managed by the SettingManager.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IReaction
Represents the idea of a chemical reaction.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomType
The base class for atom types.
|
IAtomType.Hybridization
An enum for the different hybridization states.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IBond.Display
Bond display style, controlling how bonds appear in a 2D depiction.
|
IBond.Order
A list of permissible bond orders.
|
IBond.Stereo
Enumeration of possible stereo types of two-atom bonds.
|
ICDKObject
The base class for all data objects in this CDK.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IChemObjectChangeEvent
Event fired by CDK IChemObject classes to their registered listeners
in case something changed within them.
|
IChemObjectListener
Classes implementing this interface must implement this method
such that they react appropriately to changes in the object they
are interested in.
|
IElectronContainer
Base class for entities containing electrons, like bonds, orbitals, lone-pairs.
|
IElement
Implements the idea of an element in the periodic table.
|
IIsotope
Used to store and retrieve data of a particular isotope.
|
ILonePair
A LonePair is an orbital primarily located with one Atom, containing
two electrons.
|
ISingleElectron
A Single Electron is an orbital which is occupied by only one electron.
|
IStereoElement
Representation of stereochemical configuration.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomType
The base class for atom types.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IBond.Order
A list of permissible bond orders.
|
ICDKObject
The base class for all data objects in this CDK.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IElectronContainer
Base class for entities containing electrons, like bonds, orbitals, lone-pairs.
|
IElement
Implements the idea of an element in the periodic table.
|
IIsotope
Used to store and retrieve data of a particular isotope.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IReaction
Represents the idea of a chemical reaction.
|
IRing
Class representing a ring structure in a molecule.
|
IRingSet
Maintains a set of Ring objects.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IChemFile
An
IChemObject containing a number of ChemSequences. |
IChemModel
An object containing multiple MoleculeSet and
the other lower level concepts like rings, sequences,
fragments, etc.
|
IChemSequence
A sequence of ChemModels, which can, for example, be used to
store the course of a reaction.
|
ICrystal
Class representing a molecular crystal.
|
IMonomer
A Monomer is an AtomContainer which stores additional monomer specific
informations for a group of Atoms.
|
IPDBPolymer
A PDBPolymer is a subclass of a BioPolymer which is supposed to store
additional informations about the BioPolymer which are connected to BioPolymers.
|
IReaction
Represents the idea of a chemical reaction.
|
IReactionScheme
Classes that implement this interface of a scheme.
|
IReactionSet
A set of reactions, for example those taking part in a reaction.
|
Class and Description |
---|
IBond.Order
A list of permissible bond orders.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
ICDKObject
The base class for all data objects in this CDK.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectListener
Classes implementing this interface must implement this method
such that they react appropriately to changes in the object they
are interested in.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IAtomType
The base class for atom types.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IRingSet
Maintains a set of Ring objects.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomType
The base class for atom types.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
ICDKObject
The base class for all data objects in this CDK.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectListener
Classes implementing this interface must implement this method
such that they react appropriately to changes in the object they
are interested in.
|
IElectronContainer
Base class for entities containing electrons, like bonds, orbitals, lone-pairs.
|
IElement
Implements the idea of an element in the periodic table.
|
IIsotope
Used to store and retrieve data of a particular isotope.
|
Class and Description |
---|
IBioPolymer
A BioPolymer is a subclass of a Polymer which is supposed to store
additional informations about the Polymer which are connected to BioPolymers.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomType
The base class for atom types.
|
IBioPolymer
A BioPolymer is a subclass of a Polymer which is supposed to store
additional informations about the Polymer which are connected to BioPolymers.
|
ICDKObject
The base class for all data objects in this CDK.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectListener
Classes implementing this interface must implement this method
such that they react appropriately to changes in the object they
are interested in.
|
IElement
Implements the idea of an element in the periodic table.
|
IIsotope
Used to store and retrieve data of a particular isotope.
|
IMonomer
A Monomer is an AtomContainer which stores additional monomer specific
informations for a group of Atoms.
|
IPDBAtom
A PDBAtom is a subclass of a Atom which is supposed to store additional informations about the Atom.
|
IPDBMonomer
Represents the idea of an protein monomer as found in PDB files.
|
IPDBPolymer
A PDBPolymer is a subclass of a BioPolymer which is supposed to store
additional informations about the BioPolymer which are connected to BioPolymers.
|
IPDBStructure
Represents the idea of an chemical structure.
|
IPolymer
Subclass of Molecule to store Polymer specific attributes that a Polymer has.
|
IStrand
A Strand is an AtomContainer which stores additional strand specific
informations for a group of Atoms.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IRingSet
Maintains a set of Ring objects.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
ISubstance
A chemical substance that consists of one or more chemical structures.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainerSet
A set of AtomContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
ICDKObject
The base class for all data objects in this CDK.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectListener
Classes implementing this interface must implement this method
such that they react appropriately to changes in the object they
are interested in.
|
IReaction
Represents the idea of a chemical reaction.
|
IReactionSet
A set of reactions, for example those taking part in a reaction.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainerSet
A set of AtomContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IReaction
Represents the idea of a chemical reaction.
|
Class and Description |
---|
IAtomContainerSet
A set of AtomContainers.
|
IReactionSet
A set of reactions, for example those taking part in a reaction.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IChemModel
An object containing multiple MoleculeSet and
the other lower level concepts like rings, sequences,
fragments, etc.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IReaction
Represents the idea of a chemical reaction.
|
IReactionSet
A set of reactions, for example those taking part in a reaction.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IBond.Order
A list of permissible bond orders.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IReaction
Represents the idea of a chemical reaction.
|
IRing
Class representing a ring structure in a molecule.
|
IRingSet
Maintains a set of Ring objects.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IChemModel
An object containing multiple MoleculeSet and
the other lower level concepts like rings, sequences,
fragments, etc.
|
IChemObject
The base class for all chemical objects in this cdk.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IRingSet
Maintains a set of Ring objects.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
ICDKObject
The base class for all data objects in this CDK.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IReaction
Represents the idea of a chemical reaction.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IBond.Order
A list of permissible bond orders.
|
IBond.Stereo
Enumeration of possible stereo types of two-atom bonds.
|
Class and Description |
---|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IBond.Order
A list of permissible bond orders.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IReaction
Represents the idea of a chemical reaction.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IRingSet
Maintains a set of Ring objects.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IBond.Order
A list of permissible bond orders.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
ICDKObject
The base class for all data objects in this CDK.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IDoubleBondStereochemistry
Stereochemistry specification for double bond stereochemistry.
|
IDoubleBondStereochemistry.Conformation
Enumeration that defines the two possible values for this stereochemistry type.
|
IStereoElement
Representation of stereochemical configuration.
|
ITetrahedralChirality
Stereochemistry specification for quadrivalent atoms.
|
ITetrahedralChirality.Stereo
Enumeration that defines the two possible chiralities for this stereochemistry type.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAminoAcid
A AminoAcid is Monomer which stores additional amino acid specific
informations, like the N-terminus atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
Class and Description |
---|
IAminoAcid
A AminoAcid is Monomer which stores additional amino acid specific
informations, like the N-terminus atom.
|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IAtomType
The base class for atom types.
|
IBioPolymer
A BioPolymer is a subclass of a Polymer which is supposed to store
additional informations about the Polymer which are connected to BioPolymers.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IBond.Order
A list of permissible bond orders.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IRing
Class representing a ring structure in a molecule.
|
IRingSet
Maintains a set of Ring objects.
|
IStrand
A Strand is an AtomContainer which stores additional strand specific
informations for a group of Atoms.
|
Class and Description |
---|
IChemObject
The base class for all chemical objects in this cdk.
|
Class and Description |
---|
IAtomType.Hybridization
An enum for the different hybridization states.
|
IBond.Order
A list of permissible bond orders.
|
Class and Description |
---|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
Class and Description |
---|
IAminoAcid
A AminoAcid is Monomer which stores additional amino acid specific
informations, like the N-terminus atom.
|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IAtomType
The base class for atom types.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IBond.Order
A list of permissible bond orders.
|
IChemFile
An
IChemObject containing a number of ChemSequences. |
IChemModel
An object containing multiple MoleculeSet and
the other lower level concepts like rings, sequences,
fragments, etc.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemObjectBuilder
A helper class to instantiate a
ICDKObject instance for a specific
implementation. |
IChemSequence
A sequence of ChemModels, which can, for example, be used to
store the course of a reaction.
|
IElectronContainer
Base class for entities containing electrons, like bonds, orbitals, lone-pairs.
|
IElement
Implements the idea of an element in the periodic table.
|
IIsotope
Used to store and retrieve data of a particular isotope.
|
IMolecularFormula
Class defining a molecular formula object.
|
IMolecularFormulaSet
Class defining a molecular formula object.
|
IReaction
Represents the idea of a chemical reaction.
|
IReactionScheme
Classes that implement this interface of a scheme.
|
IReactionSet
A set of reactions, for example those taking part in a reaction.
|
IRing
Class representing a ring structure in a molecule.
|
IRingSet
Maintains a set of Ring objects.
|
Class and Description |
---|
IAtom
Represents the idea of an chemical atom.
|
IAtomContainer
Base class for all chemical objects that maintain a list of Atoms and
ElectronContainers.
|
IAtomContainerSet
A set of AtomContainers.
|
IAtomType
The base class for atom types.
|
IBond
Implements the concept of a covalent bond between two or more atoms.
|
IChemFile
An
IChemObject containing a number of ChemSequences. |
IChemModel
An object containing multiple MoleculeSet and
the other lower level concepts like rings, sequences,
fragments, etc.
|
IChemObject
The base class for all chemical objects in this cdk.
|
IChemSequence
A sequence of ChemModels, which can, for example, be used to
store the course of a reaction.
|
ICrystal
Class representing a molecular crystal.
|
IElectronContainer
Base class for entities containing electrons, like bonds, orbitals, lone-pairs.
|
IElement
Implements the idea of an element in the periodic table.
|
IIsotope
Used to store and retrieve data of a particular isotope.
|
IReaction
Represents the idea of a chemical reaction.
|
IReactionSet
A set of reactions, for example those taking part in a reaction.
|
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